ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 4-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C23H24O12

(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID60958569

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-4-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)- [ACD/Index Name]
4-O-Acétyl-6-désoxy-α-L-mannopyranoside de (2R,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
[(2S,3R,4S,5R,6S)-6-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
1298135-49-5 [RN]
4"-O-Acetylastilbin
4''-Acetyl astilbin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 268.8±26.4 °C
Index of Refraction: 1.702
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 172.18
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 50.63
Polar Surface Area: 192 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 97.6±5.0 dyne/cm
Molar Volume: 295.8±5.0 cm3

Click to predict properties on the Chemicalize site


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